AU1278801A - Method for generating information related to the molecular structure of a biomolecule - Google Patents

Method for generating information related to the molecular structure of a biomolecule

Info

Publication number
AU1278801A
AU1278801A AU12788/01A AU1278801A AU1278801A AU 1278801 A AU1278801 A AU 1278801A AU 12788/01 A AU12788/01 A AU 12788/01A AU 1278801 A AU1278801 A AU 1278801A AU 1278801 A AU1278801 A AU 1278801A
Authority
AU
Australia
Prior art keywords
biomolecule
information related
molecular structure
generating information
generating
Prior art date
Legal status (The legal status is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the status listed.)
Abandoned
Application number
AU12788/01A
Inventor
Carlo Boutton
Johan Desmet
Ignace Lasters
Jan Spriet
Philippe Stas
Dominique Vlieghe
Current Assignee (The listed assignees may be inaccurate. Google has not performed a legal analysis and makes no representation or warranty as to the accuracy of the list.)
Algonomics NV
Original Assignee
Algonomics NV
Priority date (The priority date is an assumption and is not a legal conclusion. Google has not performed a legal analysis and makes no representation as to the accuracy of the date listed.)
Filing date
Publication date
Application filed by Algonomics NV filed Critical Algonomics NV
Publication of AU1278801A publication Critical patent/AU1278801A/en
Abandoned legal-status Critical Current

Links

Classifications

    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K1/00—General methods for the preparation of peptides, i.e. processes for the organic chemical preparation of peptides or proteins of any length
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16B—BIOINFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR GENETIC OR PROTEIN-RELATED DATA PROCESSING IN COMPUTATIONAL MOLECULAR BIOLOGY
    • G16B15/00—ICT specially adapted for analysing two-dimensional or three-dimensional molecular structures, e.g. structural or functional relations or structure alignment
    • G—PHYSICS
    • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
    • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
    • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
    • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00686—Automatic
    • B01J2219/00689—Automatic using computers
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/00695—Synthesis control routines, e.g. using computer programs
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/0068—Means for controlling the apparatus of the process
    • B01J2219/007—Simulation or vitual synthesis
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00722—Nucleotides
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00725—Peptides
    • B—PERFORMING OPERATIONS; TRANSPORTING
    • B01—PHYSICAL OR CHEMICAL PROCESSES OR APPARATUS IN GENERAL
    • B01J—CHEMICAL OR PHYSICAL PROCESSES, e.g. CATALYSIS OR COLLOID CHEMISTRY; THEIR RELEVANT APPARATUS
    • B01J2219/00—Chemical, physical or physico-chemical processes in general; Their relevant apparatus
    • B01J2219/00274—Sequential or parallel reactions; Apparatus and devices for combinatorial chemistry or for making arrays; Chemical library technology
    • B01J2219/00718—Type of compounds synthesised
    • B01J2219/0072—Organic compounds
    • B01J2219/00731—Saccharides
    • C—CHEMISTRY; METALLURGY
    • C07—ORGANIC CHEMISTRY
    • C07K—PEPTIDES
    • C07K2299/00—Coordinates from 3D structures of peptides, e.g. proteins or enzymes
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/06—Libraries containing nucleotides or polynucleotides, or derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/10—Libraries containing peptides or polypeptides, or derivatives thereof
    • C—CHEMISTRY; METALLURGY
    • C40—COMBINATORIAL TECHNOLOGY
    • C40B—COMBINATORIAL CHEMISTRY; LIBRARIES, e.g. CHEMICAL LIBRARIES
    • C40B40/00—Libraries per se, e.g. arrays, mixtures
    • C40B40/04—Libraries containing only organic compounds
    • C40B40/12—Libraries containing saccharides or polysaccharides, or derivatives thereof

Landscapes

  • Chemical & Material Sciences (AREA)
  • Life Sciences & Earth Sciences (AREA)
  • General Health & Medical Sciences (AREA)
  • Biophysics (AREA)
  • Organic Chemistry (AREA)
  • Spectroscopy & Molecular Physics (AREA)
  • Health & Medical Sciences (AREA)
  • Physics & Mathematics (AREA)
  • Theoretical Computer Science (AREA)
  • Engineering & Computer Science (AREA)
  • Crystallography & Structural Chemistry (AREA)
  • Bioinformatics & Computational Biology (AREA)
  • Bioinformatics & Cheminformatics (AREA)
  • Biochemistry (AREA)
  • Molecular Biology (AREA)
  • Biotechnology (AREA)
  • Analytical Chemistry (AREA)
  • Evolutionary Biology (AREA)
  • Genetics & Genomics (AREA)
  • Medicinal Chemistry (AREA)
  • Medical Informatics (AREA)
  • Proteomics, Peptides & Aminoacids (AREA)
  • Computing Systems (AREA)
  • Investigating Or Analysing Biological Materials (AREA)
  • Other Investigation Or Analysis Of Materials By Electrical Means (AREA)
  • Management, Administration, Business Operations System, And Electronic Commerce (AREA)
  • Measuring And Recording Apparatus For Diagnosis (AREA)
  • Peptides Or Proteins (AREA)

Abstract

The present invention provides methods for generating information related to the molecular structure of a biomolecule.
AU12788/01A 1999-11-03 2000-11-03 Method for generating information related to the molecular structure of a biomolecule Abandoned AU1278801A (en)

Applications Claiming Priority (5)

Application Number Priority Date Filing Date Title
US16340899P 1999-11-03 1999-11-03
US60163408 1999-11-03
EP0009460 2000-09-25
WOEP00/09460 2000-09-25
PCT/EP2000/010921 WO2001033438A2 (en) 1999-11-03 2000-11-03 Method for generating information related to the molecular structure of a biomolecule

Publications (1)

Publication Number Publication Date
AU1278801A true AU1278801A (en) 2001-05-14

Family

ID=22589903

Family Applications (1)

Application Number Title Priority Date Filing Date
AU12788/01A Abandoned AU1278801A (en) 1999-11-03 2000-11-03 Method for generating information related to the molecular structure of a biomolecule

Country Status (6)

Country Link
US (1) US8571806B2 (en)
EP (1) EP1226528B1 (en)
AT (1) ATE341793T1 (en)
AU (1) AU1278801A (en)
DE (1) DE60031147T2 (en)
WO (1) WO2001033438A2 (en)

Families Citing this family (10)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
WO2001033438A2 (en) 1999-11-03 2001-05-10 Algonomics Nv Method for generating information related to the molecular structure of a biomolecule
US8229721B1 (en) 1999-11-03 2012-07-24 Lonza Biologics Plc Apparatus and method for structure-based prediction of amino acid sequences
WO2008096424A1 (en) * 2007-02-07 2008-08-14 Fujitsu Limited Molecule designing method, program, and storage medium
NL2001101C2 (en) * 2007-12-19 2009-06-22 Univ Delft Tech Method for forming information about a three-dimensional molecular structure of a molecule.
US9465519B2 (en) * 2011-12-21 2016-10-11 Life Technologies Corporation Methods and systems for in silico experimental designing and performing a biological workflow
US9122523B2 (en) * 2012-05-03 2015-09-01 Nec Laboratories America, Inc. Automatic pipelining framework for heterogeneous parallel computing systems
US11139049B2 (en) * 2014-11-14 2021-10-05 D.E. Shaw Research, Llc Suppressing interaction between bonded particles
KR101599186B1 (en) * 2015-03-06 2016-03-03 한양대학교 산학협력단 Method and Apparatus for determining molecular structure of the protein
JP7019805B2 (en) 2018-05-29 2022-02-15 富士フイルム株式会社 Molecular stable structure search method, molecular stable structure search program, recording medium and molecular stable structure search device
JP7112312B2 (en) * 2018-10-26 2022-08-03 富士通株式会社 Compound search device, compound search method, and compound search program

Family Cites Families (6)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
US4939666A (en) 1987-09-02 1990-07-03 Genex Corporation Incremental macromolecule construction methods
US6230102B1 (en) 1997-04-04 2001-05-08 Massachusetts Institute Of Technology Computer system and process for identifying a charge distribution which minimizes electrostatic contribution to binding at binding between a ligand and a molecule in a solvent and uses thereof
JP2002510966A (en) 1997-04-11 2002-04-09 カリフォルニア・インスティテュート・オブ・テクノロジー Apparatus and method for automatic protein design
US6490532B1 (en) 1999-01-25 2002-12-03 Mount Sinai Hospital Method to construct protein structures
WO2001033438A2 (en) 1999-11-03 2001-05-10 Algonomics Nv Method for generating information related to the molecular structure of a biomolecule
US8229721B1 (en) 1999-11-03 2012-07-24 Lonza Biologics Plc Apparatus and method for structure-based prediction of amino acid sequences

Also Published As

Publication number Publication date
EP1226528A2 (en) 2002-07-31
EP1226528B1 (en) 2006-10-04
US8571806B2 (en) 2013-10-29
WO2001033438A2 (en) 2001-05-10
DE60031147T2 (en) 2007-08-23
US20110137617A1 (en) 2011-06-09
WO2001033438A3 (en) 2002-03-28
DE60031147D1 (en) 2006-11-16
ATE341793T1 (en) 2006-10-15

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Legal Events

Date Code Title Description
MK6 Application lapsed section 142(2)(f)/reg. 8.3(3) - pct applic. not entering national phase